[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (2R)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H19N5O4S/c1-12(27)23-18(9-13-10-22-15-6-3-2-5-14(13)15)21(29)30-11-19(28)24-16-7-4-8-17-20(16)26-31-25-17/h2-8,10,18,22H,9,11H2,1H3,(H,23,27)(H,24,28)/t18-/m1/s1